chempirical

Verbenone

C10H14OCAS 80-57-9150.22 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Density
0.981 g/mL (at 15 °C)
Melting point
6.5 °C
Boiling point
100 °C (at 16 Torr)
logP
2.18Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
80-57-9
SMILES
CC1=CC(=O)C2CC1C2(C)C
InChIKey
DCSCXTJOXBUFGB-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-
  • 2-Pinen-4-one
  • 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one
  • (±)-Verbenone
  • (RS)-Verbenone
  • NSC 6832
  • 2,6,6-Trimethylbicyclo[3.1.1]hept-2-en-4-one

Work with Verbenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(±)-α-Pinene2437-95-845 % similar (-)-α-Pinene7785-26-445 % similar (1R)-α-Pinene7785-70-845 % similar α-Pinene80-56-845 % similar α-Damascone43052-87-532 % similar (-)-Cedrene469-61-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 (S)-Verbenone1196-01-6 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8 1-Methoxy-2,3,5-trimethylbenzene20469-61-8

Elsewhere

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